Diffusion lammps 7dfc6b7eab71

Merge pull request #688 from lammps/history
7dfc6b7eab71
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Authored by Steve Plimpton <sjplimp@sandia.gov> on Oct 18 2017, 21:24.

Description

Merge pull request #688 from lammps/history

refactoring of neighbor history

Details

Committed

GitHub <noreply@github.com>

Oct 18 2017, 21:24

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS17c17ac40996: update multi-threaded neighbor list build for neighbor list refactor
rLAMMPSf8f13d929fad: Merge pull request #693 from giacomofiorin/colvars-update

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Event Timeline

GitHub <noreply@github.com> committed rLAMMPS7dfc6b7eab71: Merge pull request #688 from lammps/history (authored by Steve Plimpton <sjplimp@sandia.gov>).Oct 18 2017, 21:24

Merged Changes

Commit	Author	Details	Committed
17c17ac40996	Axel Kohlmeyer	update multi-threaded neighbor list build for neighbor list refactor	Oct 18 2017
39ededd46cf7	Axel Kohlmeyer	update respa/omp integrator style for neighbor list refactor	Oct 18 2017
2c7528811d7f	Axel Kohlmeyer	update several pair styles to be compliant with refactored respa lists data…	Oct 18 2017
0966e14e73a7	Steve Plimpton	more changes to rRESPA neighbor lists	Oct 18 2017
59de1a71c8cd	Axel Kohlmeyer	Merge branch 'history' of github.com:lammps/lammps into history	Oct 16 2017
5fb5f70ec684	Axel Kohlmeyer	update USER-OMP code for shear history neighbor refactoring	Oct 16 2017
f6ddc8c7c9ba	Stan Moore	Fix compile errors from neigh history refactor	Oct 13 2017
53aa92cfafd1	Axel Kohlmeyer	add support for neighbor list history refactoring in USER-OMP part 2	Oct 11 2017
7e35042c42e9	Axel Kohlmeyer	add support for neighbor list history refactoring in USER-OMP part 1	Oct 11 2017
01051e4cb13c	Steve Plimpton	refactoring of neighbor history	Oct 11 2017

Changes (91)

				Path
	M			src/CORESHELL/pair_lj_cut_coul_long_cs.cpp
	M			src/DIPOLE/pair_lj_long_dipole_long.cpp
	M			src/DIPOLE/pair_lj_long_dipole_long.h
	M			src/GRANULAR/pair_gran_hertz_history.cpp
	M			src/GRANULAR/pair_gran_hooke_history.cpp
	M			src/GRANULAR/pair_gran_hooke_history.h
	M			src/KOKKOS/neigh_list_kokkos.cpp
	M			src/KOKKOS/npair_copy_kokkos.cpp
	M			src/KSPACE/pair_buck_long_coul_long.cpp
	M			src/KSPACE/pair_buck_long_coul_long.h
	M			src/KSPACE/pair_lj_charmm_coul_long.cpp
	M			src/KSPACE/pair_lj_charmm_coul_long.h
	M			src/KSPACE/pair_lj_charmm_coul_msm.cpp
	M			src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
	M			src/KSPACE/pair_lj_charmmfsw_coul_long.h
	M			src/KSPACE/pair_lj_cut_coul_long.cpp
	M			src/KSPACE/pair_lj_cut_coul_long.h
	M			src/KSPACE/pair_lj_cut_coul_msm.cpp
	M			src/KSPACE/pair_lj_long_coul_long.cpp
	M			src/KSPACE/pair_lj_long_coul_long.h
	M			src/KSPACE/pair_lj_long_tip4p_long.cpp
	M			src/OPT/pair_lj_long_coul_long_opt.cpp
	M			src/Purge.list
	M			src/USER-DRUDE/pair_lj_cut_thole_long.cpp
	M			src/USER-DRUDE/pair_lj_cut_thole_long.h
	M			src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
	M			src/USER-FEP/pair_lj_charmm_coul_long_soft.h
	M			src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
	M			src/USER-FEP/pair_lj_cut_coul_long_soft.h
	M			src/USER-FEP/pair_lj_cut_soft.cpp
	M			src/USER-FEP/pair_lj_cut_soft.h
	V			src/USER-OMP/{fix_neigh_history_omp.cpp ← fix_shear_history_omp.cpp}
	V			src/USER-OMP/{fix_neigh_history_omp.h ← fix_shear_history_omp.h}
	V			src/USER-OMP/{fix_shear_history_omp.cpp → fix_neigh_history_omp.cpp}
	V			src/USER-OMP/{fix_shear_history_omp.h → fix_neigh_history_omp.h}
	M			src/USER-OMP/npair_half_respa_bin_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_respa_bin_newton_omp.cpp
	M			src/USER-OMP/npair_half_respa_bin_newton_tri_omp.cpp
	M			src/USER-OMP/npair_half_respa_nsq_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_respa_nsq_newton_omp.cpp
	M			src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_size_bin_newton_omp.cpp
	M			src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp
	M			src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp
	M			src/USER-OMP/npair_half_size_nsq_newton_omp.cpp
	M			src/USER-OMP/pair_buck_long_coul_long_omp.cpp
	M			src/USER-OMP/pair_gran_hertz_history_omp.cpp
	M			src/USER-OMP/pair_gran_hooke_history_omp.cpp
	M			src/USER-OMP/pair_lj_long_coul_long_omp.cpp
	M			src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
	M			src/USER-OMP/respa_omp.cpp
	M			src/fix.h
	V			src/{fix_neigh_history.cpp ← fix_shear_history.cpp}
	V			src/{fix_neigh_history.h ← fix_shear_history.h}
	V			src/{fix_shear_history.cpp → fix_neigh_history.cpp}
	V			src/{fix_shear_history.h → fix_neigh_history.h}
	M			src/min.cpp
	M			src/modify.cpp
	M			src/modify.h
	M			src/neigh_list.cpp
	M			src/neigh_list.h
	M			src/neigh_request.cpp
	M			src/neigh_request.h
	M			src/neighbor.cpp
	M			src/neighbor.h
	M			src/npair.cpp
	M			src/npair.h
	M			src/npair_copy.cpp
	M			src/npair_half_respa_bin_newtoff.cpp
	M			src/npair_half_respa_bin_newton.cpp
	M			src/npair_half_respa_bin_newton_tri.cpp
	M			src/npair_half_respa_nsq_newtoff.cpp
	M			src/npair_half_respa_nsq_newton.cpp
	M			src/npair_half_size_bin_newtoff.cpp
	M			src/npair_half_size_bin_newton.cpp
	M			src/npair_half_size_bin_newton_tri.cpp
	M			src/npair_half_size_nsq_newtoff.cpp
	M			src/npair_half_size_nsq_newton.cpp
	M			src/npair_skip_respa.cpp
	M			src/npair_skip_size.cpp
	M			src/npair_skip_size_off2on.cpp
	M			src/npair_skip_size_off2on_oneside.cpp
	M			src/pair.h
	M			src/pair_lj96_cut.cpp
	M			src/pair_lj96_cut.h
	M			src/pair_lj_cut.cpp
	M			src/pair_lj_cut.h
	M			src/pair_mie_cut.cpp
	M			src/pair_mie_cut.h
	M			src/respa.cpp
	M			src/verlet.cpp